Geometry & MOs

Info

ID:	394190
PubChem CID:	135022504
Reduced:	N3O8C28H43 (1)
Stoich.:	A3B8C28D43 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-333.38
Dipole, Da:	2.54
IP(EA), eV:	-8.32(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-(2-pyrazol-1-ylphenyl)cyclopent-3-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC(CC(C1N(C)C)(C)O)OC[C@H]2C3=C(C[C@@H]4N2[C@H]([C@@H]5C[C@H]([C@H]4N5)C(O)O)O)C(=O)C(=C(C3=O)OC)C

DOS

IR

Vibrations