Geometry & MOs

Info

ID:	168751
PubChem CID:	75014361
Reduced:	N4O7C21H38 (1)
Stoich.:	A4B7C21D38 (1)
Weight, g/mol:	406.250795
ΔH_f, kcal/mol:	-368.05
Dipole, Da:	8.21
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(17-ethynyl-17-hydroxy-2,18-dimethyl-7-oxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)N

DOS

IR

Vibrations