Geometry & MOs

Info

ID:	335990
PubChem CID:	127254997
Reduced:	O4N5H23C27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	4.39
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCN5C6=CC=CC=C6N=C5CO

DOS

IR

Vibrations