Geometry & MOs

Info

ID:	388881
PubChem CID:	134990519
Reduced:	S2N4O7C21H22 (1)
Stoich.:	A2B4C7D21E22 (1)
Weight, g/mol:	569.284949
ΔH_f, kcal/mol:	-229.12
Dipole, Da:	4.8
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)N(S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations