Geometry & MOs

Info

ID:	162294
PubChem CID:	57394212
Reduced:	BrO2N4C23H37 (1)
Stoich.:	AB2C4D23E37 (1)
Weight, g/mol:	482.094617
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	2.99
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(3,4-dichlorophenyl)urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CCCN(C1)CCC2=CC=C(C=C2)Br)C(C)(C)C)NC

DOS

IR

Vibrations