Geometry & MOs

Info

ID:	191378
PubChem CID:	78139754
Reduced:	O2N6C27H36 (1)
Stoich.:	A2B6C27D36 (1)
Weight, g/mol:	380.231122
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	10.97
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[(3-butan-2-yl-4-oxooxetane-2-carbonyl)amino]cyclopropyl]but-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)C(=O)N2CC3C(C2)NNC3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations