Geometry & MOs

Info

ID:	64633
PubChem CID:	29203588
Reduced:	SCl2N3O4C17H19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	428.194737
ΔH_f, kcal/mol:	-175.31
Dipole, Da:	3.74
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations