Geometry & MOs

Info

ID:	155674
PubChem CID:	56366831
Reduced:	FO2N5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	423.02523
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	4.31
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-acetamido-5-bromoanilino)-4-oxobutyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C(=O)NCCC(=O)NCC3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations