Geometry & MOs

Info

ID:	335806
PubChem CID:	127254668
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	4.81
IP(EA), eV:	-9.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations