Geometry & MOs

Info

ID:	155381
PubChem CID:	56353007
Reduced:	BrN2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	477.193357
ΔH_f, kcal/mol:	-187.49
Dipole, Da:	2.37
IP(EA), eV:	-9.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]sulfonylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1(CCOCC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations