Geometry & MOs

Info

ID:	227740
PubChem CID:	87562366
Reduced:	N3O4C9H17 (1)
Stoich.:	A3B4C9D17 (1)
Weight, g/mol:	399.109817
ΔH_f, kcal/mol:	-179.69
Dipole, Da:	4.88
IP(EA), eV:	-9.18(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[5-(2-chloropyridin-4-yl)-2-methylpyrazol-3-yl]amino]-3-oxo-1-phenylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NNC(=O)CCNC(=O)O

DOS

IR

Vibrations