Geometry & MOs

Info

ID:	336082
PubChem CID:	127255089
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	366.14741
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	4.75
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S,3S)-3-methyl-2-(tetrazol-1-yl)pentanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCC3=CN4C=CC=CC4=N3)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations