Geometry & MOs

Info

ID:

188855

PubChem CID:

77774612

Reduced:

N7O13C41H63 (1)

Stoich.:

A7B13C41D63 (1)

Weight, g/mol:

594.251206

ΔHf, kcal/mol:

-628.83

Dipole, Da:

4.71

IP(EA), eV:

 -9.21(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-aminopent-4-enoyl(butylsulfonyl)amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=CC=C1C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CCC(=O)O

DOS

IR

Vibrations