Geometry & MOs

Info

ID:	307285
PubChem CID:	125299339
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	583.97693
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	7.31
IP(EA), eV:	-9.4(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] (2R)-2-[(4-bromobenzoyl)amino]-3-(2H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)N[C@H]2C=NC(=O)NC2=O

DOS

IR

Vibrations