Geometry & MOs

Info

ID:	392823
PubChem CID:	135018062
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	618.17293
ΔH_f, kcal/mol:	-85.05
Dipole, Da:	6.49
IP(EA), eV:	-9.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(2S)-3-bromo-2-(phenylmethoxycarbonylamino)propoxy]phenyl]-3-cyclohexyl-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC(C3=C2C4CCC3C4)(OC)OC

DOS

IR

Vibrations