Geometry & MOs

Info

ID:	230655
PubChem CID:	87571571
Reduced:	O5N10C36H52 (1)
Stoich.:	A5B10C36D52 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	4.93
IP(EA), eV:	-8.48(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[chloro(phenyl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC2=C(C3=C4C=CC(=C3C(=C2C(=O)O)C(=O)NNCCCN5CCCC5)C(=O)NC4=O)/C(=N/NCCCN6CCCC6)/N

DOS

IR

Vibrations