Geometry & MOs

Info

ID:	154996
PubChem CID:	56314557
Reduced:	BrN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	6.61
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(2-methoxyethylsulfonyl)benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations