Geometry & MOs

Info

ID:	444815
PubChem CID:	135263635
Reduced:	O4N5C27H43 (1)
Stoich.:	A4B5C27D43 (1)
Weight, g/mol:	259.153206
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	6.17
IP(EA), eV:	-9.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(carbamoylamino)-3-oxo-2-propan-2-ylheptanoic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(COC1=CC=C(C=C1)CCOCC2CC2)O)C(=O)C(CC3=CN=CN3)NCC(C)N

DOS

IR

Vibrations