Geometry & MOs

Info

ID:	231304
PubChem CID:	87573431
Reduced:	SO7N8C33H48 (1)
Stoich.:	AB7C8D33E48 (1)
Weight, g/mol:	261.086189
ΔH_f, kcal/mol:	-269.61
Dipole, Da:	14.01
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-acetylpyridin-2-yl)methyl]triazol-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)NNC2=C(C=NC=C2)C(=O)O)NC(=O)[C@H](CCSC)NC=O

DOS

IR

Vibrations