Geometry & MOs

Info

ID:	135979
PubChem CID:	51962478
Reduced:	SN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	414.19483
ΔH_f, kcal/mol:	85.61
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.057418
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-1-cyclopropylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C3=[NH+]C=CC4=C3C=CS4

DOS

IR

Vibrations