Geometry & MOs

Info

ID:	186104
PubChem CID:	77390762
Reduced:	O5N8C30H42 (1)
Stoich.:	A5B8C30D42 (1)
Weight, g/mol:	483.236936
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	2.01
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-ethoxy-3-hydroxy-4-oxobutyl)-[(4-phenylphenyl)methyl]carbamoyl]pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CN(CCCNC(=O)NC5=CC=C(C=C5)C(C)(C)C)C6COC6)C

DOS

IR

Vibrations