Geometry & MOs

Info

ID:	243146
PubChem CID:	99215987
Reduced:	ON2S2H20C22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	33.39
Dipole, Da:	2.0
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[3-(cyclopropylcarbamoylamino)phenyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N(C2=CC(=CC(=C2)C)C)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations