Geometry & MOs

Info

ID:	243178
PubChem CID:	99216554
Reduced:	ClO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	428.107375
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	7.01
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[3-chloro-4-(dimethylamino)phenyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)C1=C(N(C(=C1)C)C2=CC(=CC=C2)Cl)C)C(=O)C

DOS

IR

Vibrations