Geometry & MOs

Info

ID:	218123
PubChem CID:	85088912
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	431.176644
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	8.73
IP(EA), eV:	-8.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3,5-dimethyl-2-methylidenecyclopentyl)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1(C2C(CN1C(=O)C3CCN(CC3)C)C(NN2)NC(=O)C4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations