Geometry & MOs

Info

ID:	152481
PubChem CID:	56311417
Reduced:	BrFO2N4C22H26 (1)
Stoich.:	ABC2D4E22F26 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	6.86
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br)CC3=CC=CC=C3F

DOS

IR

Vibrations