Geometry & MOs

Info

ID:

191288

PubChem CID:

78125887

Reduced:

N30O34C109H188 (1)

Stoich.:

A30B34C109D188 (1)

Weight, g/mol:

601.362805

ΔHf, kcal/mol:

-1729.41

Dipole, Da:

18.55

IP(EA), eV:

 -9.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea;3-aminobutan-2-one;2-amino-3-(1H-indol-3-yl)propanal

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)C(=O)O)NC(=O)C(C(C)CC)N

DOS

IR

Vibrations