Geometry & MOs

Info

ID:	146837
PubChem CID:	53757155
Reduced:	O2S2N7C29H29 (1)
Stoich.:	A2B2C7D29E29 (1)
Weight, g/mol:	533.195071
ΔH_f, kcal/mol:	95.63
Dipole, Da:	6.47
IP(EA), eV:	-8.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenylbenzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCC1=NC(=CS1)N2CC3=C(C=NC=C3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC=CC=C6

DOS

IR

Vibrations