Geometry & MOs

Info

ID:	333975
PubChem CID:	127252527
Reduced:	N4O6C37H44 (1)
Stoich.:	A4B6C37D44 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	5.73
IP(EA), eV:	-8.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CN(C2=CC=CC=C21)C(C)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations