Geometry & MOs

Info

ID:	155286
PubChem CID:	56352872
Reduced:	O2S2N5C20H29 (1)
Stoich.:	A2B2C5D20E29 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	7.6
IP(EA), eV:	-8.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)C(C)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations