Geometry & MOs

Info

ID:	147761
PubChem CID:	53787419
Reduced:	ClN9O14C63H94 (1)
Stoich.:	AB9C14D63E94 (1)
Weight, g/mol:	148.092186
ΔH_f, kcal/mol:	-627.82
Dipole, Da:	14.15
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpentan-2-ylsulfanylmethanol

Drug info:

Smile

CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)CC3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(C)C)C

DOS

IR

Vibrations