Geometry & MOs

Info

ID:	155697
PubChem CID:	56366971
Reduced:	BrN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	447.07937
ΔH_f, kcal/mol:	-115.18
Dipole, Da:	5.54
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(2-acetamido-5-bromophenyl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)Br)NC(=O)C

DOS

IR

Vibrations