Geometry & MOs

Info

ID:	233537
PubChem CID:	91145361
Reduced:	N2O5H26C27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	480.10486
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	3.28
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[4-(bromomethyl)benzoyl]amino]-4-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C(=C(N2C3=CC=C(C=C3)C4=NOC=C4)O)O)C(=O)C5=CC=C(C=C5)CO

DOS

IR

Vibrations