Geometry & MOs

Info

ID:	379316
PubChem CID:	134357809
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	321.191323
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	4.77
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-amino-1H-imidazol-5-yl)-2-methylpropan-2-yl] N-[3-(5-aminopyrazol-1-yl)propyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC2=C(C=C(C=C2)C(=O)OC)NC1=O)C

DOS

IR

Vibrations