Geometry & MOs

Info

ID:	443083
PubChem CID:	135257653
Reduced:	SN2O3F5H29C30 (1)
Stoich.:	AB2C3D5E29F30 (1)
Weight, g/mol:	525.299142
ΔH_f, kcal/mol:	-291.47
Dipole, Da:	5.94
IP(EA), eV:	-9.34(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-cyclohexylphenyl)methyl]-N-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CC2=CC=C(C=C2)C3CCCCC3)C(=O)CN(C)SC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)O

DOS

IR

Vibrations