Geometry & MOs

Info

ID:	150055
PubChem CID:	53789740
Reduced:	NO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	857.366964
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	2.38
IP(EA), eV:	-8.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-6-amino-2-[[(2S)-2-[[(2R)-6-amino-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonylamino]hexanoyl]amino]-3-phenylpropanoyl]-phenylmethoxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

C1C=C2C(N=C1)OC=CO2

DOS

IR

Vibrations