Geometry & MOs

Info

ID:	297778
PubChem CID:	117630472
Reduced:	N4C33H36 (1)
Stoich.:	A4B33C36 (1)
Weight, g/mol:	498.215472
ΔH_f, kcal/mol:	94.85
Dipole, Da:	3.52
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[2-[5-(2,5-dioxopyrrol-3-yl)pentoxy]phenyl]methyl]-4-(furan-2-yl)benzamide

Drug info:

PubChemData

Smile

C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)N7C=NC8=CC=CC=C87

DOS

IR

Vibrations