Geometry & MOs

Info

ID:	34659
PubChem CID:	7978787
Reduced:	ClN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	356.125133
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	10.25
IP(EA), eV:	-9.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

DOS

IR

Vibrations