Geometry & MOs

Info

ID:	12904
PubChem CID:	148088
Reduced:	N2O3C10H14 (2)
Stoich.:	A2B3C10D14 (2)
Weight, g/mol:	420.200885
ΔH_f, kcal/mol:	-170.41
Dipole, Da:	3.3
IP(EA), eV:	-9.42(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl N-[2,5-bis(aziridin-1-yl)-4-(butan-2-yloxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC(C)CC)N3CC3

DOS

IR

Vibrations