Geometry & MOs

Info

ID:	446039
PubChem CID:	135271882
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	566.288654
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	6.0
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2R)-3-methyl-3-sulfanylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)NC(=O)C=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations