Geometry & MOs

Info

ID:	190616
PubChem CID:	78032049
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	468.10083
ΔH_f, kcal/mol:	38.25
Dipole, Da:	5.63
IP(EA), eV:	-7.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[(3-bromophenyl)carbamoylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=CC(=C(C2=S)OC)CCCCCC3CNNN3

DOS

IR

Vibrations