Geometry & MOs

Info

ID:	186851
PubChem CID:	77493866
Reduced:	FO2N8C29H37 (1)
Stoich.:	AB2C8D29E37 (1)
Weight, g/mol:	528.210781
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	10.94
IP(EA), eV:	-7.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1-(4-hydroxy-3,5-dimethoxybenzoyl)pyrrolidin-2-yl]acetate

Drug info:

PubChemData

Smile

CNC(=C1C=CN=C1N)N2CCN(C(C2)C3=CC(=CC=C3)NC(=O)NC4=C(C=CC=C4F)N5CCCC5)CCO

DOS

IR

Vibrations