Geometry & MOs

Info

ID:	307394
PubChem CID:	125299770
Reduced:	ClON7C26H30 (1)
Stoich.:	ABC7D26E30 (1)
Weight, g/mol:	478.123025
ΔH_f, kcal/mol:	61.22
Dipole, Da:	2.8
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[(4-chlorobenzoyl)amino]-N-[2-(2H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC(=C(N3)Cl)C4=CC5=C(C=C4)[C@@H](N=N5)N

DOS

IR

Vibrations