Geometry & MOs

Info

ID:	221238
PubChem CID:	85261629
Reduced:	BrN4H31C32 (1)
Stoich.:	AB4C31D32 (1)
Weight, g/mol:	547.243084
ΔH_f, kcal/mol:	149.83
Dipole, Da:	3.54
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(2-hydrazinyl-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3C(NNC3N(C(C2)C4=CC=CC=C4)CC5=CC=CC=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations